7CJQ
Structure of DLA-88*001:04
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-05-16 |
Detector | AGILENT EOS CCD |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.167, 92.837, 119.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
R-factor | 0.2543 |
Rwork | 0.253 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qq3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.926 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.200 | |
Number of reflections | 50958 | 27541 |
<I/σ(I)> | 7.308 | |
Completeness [%] | 97.8 | |
Redundancy | 5.5 | |
CC(1/2) | 0.507 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 3350,0.2 M Sodium sulfate decahydrate |